2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid

C11H15NO3 — CID 77218984

IUPAC2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid
SMILESNC(Cc1ccc(CCO)cc1)C(=O)O
InChIInChI=1S/C11H15NO3/c12-10(11(14)15)7-9-3-1-8(2-4-9)5-6-13/h1-4,10,13H,5-7,12H2,(H,14,15)
InChIKeyPHTSEYXRINISNN-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.18
Rot. Bonds5

About 2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid

2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid (PubChem CID 77218984) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid
PubChem CID77218984
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid
SMILESNC(Cc1ccc(CCO)cc1)C(=O)O
InChIInChI=1S/C11H15NO3/c12-10(11(14)15)7-9-3-1-8(2-4-9)5-6-13/h1-4,10,13H,5-7,12H2,(H,14,15)
InChIKeyPHTSEYXRINISNN-UHFFFAOYSA-N
XLogP0.18
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid
CID 67057392
2-amino-3-phenylpropanoic acid;2-phenylethanol
CID 174842884
2-amino-3-[4-(3-oxobutyl)phenyl]propanoic acid
CID 59658427
(2S)-2-amino-3-[4-(2-boronoethyl)phenyl]propanoic acid
CID 170790960
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid
CID 7018015
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-[4-(2-phosphonoethyl)phenyl]propanoic acid
CID 54162396
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid (CID 77218984) is 2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid is NC(Cc1ccc(CCO)cc1)C(=O)O.
What is the InChIKey of 2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid?
The InChIKey is PHTSEYXRINISNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c12-10(11(14)15)7-9-3-1-8(2-4-9)5-6-13/h1-4,10,13H,5-7,12H2,(H,14,15).
What are the key properties of 2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid?
2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid is sourced from PubChem (CID 77218984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).